SCHEMBL3227322

SCHEMBL3227322

CC(CNc1cc(-c2ccccc2)nc(Cl)n1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ESR1 P03372 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TLR8 Q9NR97 1/20 0.39
VCP P55072 5/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3451792 0.74 MEN1 (0.59) HRH4MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL3227319 0.73 MEN1 (0.50) HRH4MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL3450708 0.73 ALDH1A1 (0.58) HRH4MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL3233802 0.72 TLR8 (0.71) HRH4MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL3473227 0.72 MEN1 (0.66) HRH4MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL3220814 0.71 MEN1 (0.59) HRH4MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL3237770 0.70 SMN1; SMN2 (0.54) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL3229148 0.70 SMN1; SMN2 (0.54) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL3228726 0.70 HRH4 (0.57) HRH4MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL3233891 0.70 MEN1 (0.54) MEN1KMT2AL3MBTL1ALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO disclosed